methyl 2-(4-iodophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-(4-iodophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 2-(4-iodophenyl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 2-(4-iodophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-iodophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 2-(4-iodophenyl)-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C13H11IN2O2S MolecularWeight: 386.20811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)C2=CC=C(C=C2)I)C(=O)OC

Isomeric SMILES

CC1=C(C(=S)N=C(N1)C2=CC=C(C=C2)I)C(=O)OC

InChI

InChI=1S/C13H11IN2O2S/c1-7-10(13(17)18-2)12(19)16-11(15-7)8-3-5-9(14)6-4-8/h3-6H,1-2H3,(H,15,16,19)